(3E)-5-methoxy-2-methylsulfanyl-3-(phenylmethylidene)-6-propan-2-ylsulfonyl-1H-isoindole

Systemtic Name: (3E)-5-methoxy-2-methylsulfanyl-3-(phenylmethylidene)-6-propan-2-ylsulfonyl-1H-isoindole Openeye Name: (1E)-1-benzylidene-5-isopropylsulfonyl-6-methoxy-2-methylsulfanyl-isoindoline CAS Name: (3E)-5-methoxy-2-(methylthio)-3-(phenylmethylene)-6-propan-2-ylsulfonyl-1H-isoindole IUPAC Name: (3E)-3-benzylidene-5-methoxy-2-methylsulfanyl-6-propan-2-ylsulfonyl-1H-isoindole Traditional Name: (1E)-1-benzal-5-isopropylsulfonyl-6-methoxy-2-(methylthio)isoindoline Formula: C20H23NO3S2 MolecularWeight: 389.53152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=C2C(=C1)CN(C2=CC3=CC=CC=C3)SC)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=C\2C(=C1)CN(/C2=C/C3=CC=CC=C3)SC)OC

InChI

InChI=1S/C20H23NO3S2/c1-14(2)26(22,23)20-11-16-13-21(25-4)18(17(16)12-19(20)24-3)10-15-8-6-5-7-9-15/h5-12,14H,13H2,1-4H3/b18-10+